SCHEMBL9640832

SCHEMBL9640832

CC(=O)Nc1ccc(C(=O)C(Cl)[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
HIF1A Q16665 1/20 0.49
KMT2A Q03164 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MEN1 O00255 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MB P02144 1/20 0.44
CYP1A1 P04798 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9639610 0.82 SMN1; SMN2 (0.55) MAPTALDH1A1TP53KMT2AL3MBTL1
SCHEMBL8752470 0.79 SMN1; SMN2 (0.47) MAPTALDH1A1TP53HIF1AKMT2A
SCHEMBL4051682 0.78 ALDH1A1 (0.56) MAPTALDH1A1TP53HIF1AKMT2A
SCHEMBL7220889 0.76 CA1 (0.47) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL599311 0.74 TDP1 (0.45) ALDH1A1TP53KMT2AL3MBTL1MEN1
SCHEMBL3645803 0.74 TDP1 (0.45) ALDH1A1TP53KMT2AL3MBTL1MEN1
SCHEMBL15047897 0.74 SMN1; SMN2 (0.57) MAPTALDH1A1TP53HIF1AKMT2A
SCHEMBL20159187 0.74 ALDH1A1 (0.56) MAPTALDH1A1TP53HIF1AKMT2A
SCHEMBL11235456 0.73 SMN1; SMN2 (0.55) MAPTALDH1A1TP53HIF1AKMT2A
SCHEMBL12983946 0.72 SMN1; SMN2 (0.55) MAPTALDH1A1KMT2AL3MBTL1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339411-B1 PROCESS FOR THE PREPARATION OF QUINOXALONES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-12 EP disclosed
EP-0339411-A1 Process for the preparation of quinoxalones HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-02 EP disclosed